1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

C84H135N28O3+ — CID 158514184

About 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 158514184) has the molecular formula C84H135N28O3+ and a molecular weight of 1585.20 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• PubChem CID: 158514184
• Molecular Formula: C84H135N28O3+
• Molecular Weight: 1585.20 g/mol
• Exact Mass: 1584.13
• IUPAC Name: 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)C1N=NC=C1C1CC1.CC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nnnn1C1CC1.CC(C)c1noc[n+]1C1CC1.CC(C)c1nonc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnn1.CC(C)n1cncc1C1CC1.CC(C)n1cnnc1.CC(C)n1nnnc1C1CC1
• InChI: InChI=1S/3C9H14N2.C9H13NO.C8H13N3.C8H13N2O.C8H12N2O.2C7H12N4.2C5H9N3/c1-7(2)11-6-10-5-9(11)8-3-4-8;1-7(2)9-5-10-6-11(9)8-3-4-8;2*1-6(2)9-8(5-10-11-9)7-3-4-7;1-6(2)8-10-9-5-11(8)7-3-4-7;1-6(2)8-9-11-5-10(8)7-3-4-7;1-5(2)7-8(6-3-4-6)10-11-9-7;1-5(2)11-7(6-3-4-6)8-9-10-11;1-5(2)7-8-9-10-11(7)6-3-4-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8/h2*5-8H,3-4H2,1-2H3;5-7,9H,3-4H2,1-2H3;3*5-7H,3-4H2,1-2H3;3*5-6H,3-4H2,1-2H3;2*3-5H,1-2H3/q;;;;;+1
• InChIKey: MZTKTEGMRZWREK-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 334.55 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1585.20
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The IUPAC name of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (CID 158514184) is 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is CC(C)C1N=NC=C1C1CC1.CC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nnnn1C1CC1.CC(C)c1noc[n+]1C1CC1.CC(C)c1nonc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnn1.CC(C)n1cncc1C1CC1.CC(C)n1cnnc1.CC(C)n1nnnc1C1CC1.

What is the InChIKey of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The InChIKey is MZTKTEGMRZWREK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H14N2.C9H13NO.C8H13N3.C8H13N2O.C8H12N2O.2C7H12N4.2C5H9N3/c1-7(2)11-6-10-5-9(11)8-3-4-8;1-7(2)9-5-10-6-11(9)8-3-4-8;2*1-6(2)9-8(5-10-11-9)7-3-4-7;1-6(2)8-10-9-5-11(8)7-3-4-7;1-6(2)8-9-11-5-10(8)7-3-4-7;1-5(2)7-8(6-3-4-6)10-11-9-7;1-5(2)11-7(6-3-4-6)8-9-10-11;1-5(2)7-8-9-10-11(7)6-3-4-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8/h2*5-8H,3-4H2,1-2H3;5-7,9H,3-4H2,1-2H3;3*5-7H,3-4H2,1-2H3;3*5-6H,3-4H2,1-2H3;2*3-5H,1-2H3/q;;;;;+1;;;;;.

What are the key properties of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 1585.20 g/mol, XLogP of 19.34, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;3-cyclopropyl-4-propan-2-yl-1,2,5-oxadiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazol-4-ium;4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-3H-pyrazole;1-cyclopropyl-5-propan-2-yltetrazole;5-cyclopropyl-1-propan-2-yltetrazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158514184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).